2-(cyclopropylamino)-4-[2,2-dimethylpropyl(methyl)amino]butanamide

C13H27N3O — CID 63052904

IUPAC2-(cyclopropylamino)-4-[2,2-dimethylpropyl(methyl)amino]butanamide
SMILESCN(CCC(NC1CC1)C(N)=O)CC(C)(C)C
InChIInChI=1S/C13H27N3O/c1-13(2,3)9-16(4)8-7-11(12(14)17)15-10-5-6-10/h10-11,15H,5-9H2,1-4H3,(H2,14,17)
InChIKeyAEIMKUPYLZKISD-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds7

About 2-(cyclopropylamino)-4-[2,2-dimethylpropyl(methyl)amino]butanamide

2-(cyclopropylamino)-4-[2,2-dimethylpropyl(methyl)amino]butanamide (PubChem CID 63052904) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-[2,2-dimethylpropyl(methyl)amino]butanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-[2,2-dimethylpropyl(methyl)amino]butanamide
PubChem CID63052904
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-(cyclopropylamino)-4-[2,2-dimethylpropyl(methyl)amino]butanamide
SMILESCN(CCC(NC1CC1)C(N)=O)CC(C)(C)C
InChIInChI=1S/C13H27N3O/c1-13(2,3)9-16(4)8-7-11(12(14)17)15-10-5-6-10/h10-11,15H,5-9H2,1-4H3,(H2,14,17)
InChIKeyAEIMKUPYLZKISD-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]butanamide
CID 63055288
4-[2,2-dimethylpropyl(methyl)amino]-2-(ethylamino)butanamide
CID 63055540
2-(cyclopropylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butanamide
CID 63054235
2-(cyclopropylamino)-5-(methylamino)hexanediamide
CID 66221949
2-(cyclopropylamino)-4-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]butanamide
CID 79315941
2-(cyclopropylamino)-4-[1-methoxypropan-2-yl(methyl)amino]butanamide
CID 63053045
2-(cyclopropylamino)-4-[methyl-(2-methylcyclohexyl)amino]butanamide
CID 63053076
2-(cyclopropylamino)-4-[ethyl(2-methylpropyl)amino]butanamide
CID 55143527
2-(cyclopropylamino)-4-[methyl(oxolan-3-yl)amino]butanamide
CID 82743246
methyl 2-(cyclopropylamino)-4-[methyl(2-methylpropyl)amino]butanoate
CID 63028809
tert-butyl N-[4-amino-3-(cyclopropylamino)-4-oxobutyl]carbamate
CID 102730728
ethyl 4-[butyl(methyl)amino]-2-(cyclopropylamino)butanoate
CID 55145440

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-[2,2-dimethylpropyl(methyl)amino]butanamide?
The IUPAC name of 2-(cyclopropylamino)-4-[2,2-dimethylpropyl(methyl)amino]butanamide (CID 63052904) is 2-(cyclopropylamino)-4-[2,2-dimethylpropyl(methyl)amino]butanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-[2,2-dimethylpropyl(methyl)amino]butanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-[2,2-dimethylpropyl(methyl)amino]butanamide is CN(CCC(NC1CC1)C(N)=O)CC(C)(C)C.
What is the InChIKey of 2-(cyclopropylamino)-4-[2,2-dimethylpropyl(methyl)amino]butanamide?
The InChIKey is AEIMKUPYLZKISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-13(2,3)9-16(4)8-7-11(12(14)17)15-10-5-6-10/h10-11,15H,5-9H2,1-4H3,(H2,14,17).
What are the key properties of 2-(cyclopropylamino)-4-[2,2-dimethylpropyl(methyl)amino]butanamide?
2-(cyclopropylamino)-4-[2,2-dimethylpropyl(methyl)amino]butanamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-[2,2-dimethylpropyl(methyl)amino]butanamide is sourced from PubChem (CID 63052904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).